{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.788796 0.489216 0.209393 ] [ 0.788796 0.010784 0.209393 ] [ 0.211204 0.510784 0.790607 ] [ 0.211204 0.989216 0.790607 ] [ 0.212856 0.25 0.344224 ] [ 0.787144 0.75 0.655776 ] [ 0.283463 0.75 0.421091 ] [ 0.716537 0.25 0.578909 ] [ 0.263867 0.25 0.054272 ] [ 0.736133 0.75 0.945728 ] [ 0.706395 0.75 0.090373 ] [ 0.03287 0.25 0.114452 ] [ 0.461604 0.25 0.157358 ] [ 0.174469 0.95389 0.316908 ] [ 0.174469 0.54611 0.316908 ] [ 0.825875 0.25 0.393263 ] [ 0.620789 0.75 0.444755 ] [ 0.379211 0.25 0.555245 ] [ 0.174125 0.75 0.606737 ] [ 0.825531 0.45389 0.683092 ] [ 0.825531 0.04611 0.683092 ] [ 0.538396 0.75 0.842642 ] [ 0.96713 0.75 0.885548 ] [ 0.293605 0.25 0.909627 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "As" "As" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.13011475 "source-unit" "angstrom" } "b" { "source-value" 6.61798256 "source-unit" "angstrom" } "c" { "source-value" 8.67304616 "source-unit" "angstrom" } "beta" { "source-value" 92.60712256 "source-unit" "degree" } }